[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/SimInfo.cpp

Comparing trunk/OOPSE/libmdtools/SimInfo.cpp (file contents):
Revision 393 by mmeineke, Mon Mar 24 18:33:51 2003 UTC vs.
Revision 394 by gezelter, Mon Mar 24 21:55:34 2003 UTC

#	Line 44 \| Line 44 \| void SimInfo::refreshSim(){
44
45		fInfo.rlist = rList;
46		fInfo.rcut = rCut;
47	<	fInfo.rrf = rRF;
48	<	fInfo.rt = 0.95 * rRF;
47	>	fInfo.rrf = ecr;
48	>	fInfo.rt = ecr - est;
49		fInfo.dielect = dielectric;
50	–
50
51		fInfo.SIM_uses_PBC = usePBC;
52		fInfo.SIM_uses_LJ = useLJ;
53	<	fInfo.SIM_uses_sticky = useSticky;
54	<	fInfo.SIM_uses_dipoles = 0;
55	<	// fInfo.SIM_uses_dipoles = useDipole;
56	<	fInfo.SIM_uses_RF = 0;
58	<	// fInfo.SIM_uses_RF = useReactionField;
53	>	//fInfo.SIM_uses_sticky = useSticky;
54	>	fInfo.SIM_uses_sticky = 0;
55	>	fInfo.SIM_uses_dipoles = useDipole;
56	>	fInfo.SIM_uses_RF = useReactionField;
57		fInfo.SIM_uses_GB = useGB;
58		fInfo.SIM_uses_EAM = useEAM;
59

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